2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

C14H27N3O2 — CID 134079017

IUPAC2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(CC(C)O)CC2
InChIInChI=1S/C14H27N3O2/c1-12(18)10-16-8-5-14(6-9-16)4-3-7-17(14)11-13(19)15-2/h12,18H,3-11H2,1-2H3,(H,15,19)
InChIKeyRZYAFFWVUNXSLG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.04
Rot. Bonds4

About 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (PubChem CID 134079017) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
PubChem CID134079017
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(CC(C)O)CC2
InChIInChI=1S/C14H27N3O2/c1-12(18)10-16-8-5-14(6-9-16)4-3-7-17(14)11-13(19)15-2/h12,18H,3-11H2,1-2H3,(H,15,19)
InChIKeyRZYAFFWVUNXSLG-UHFFFAOYSA-N
XLogP0.04
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (CID 134079017) is 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC12CCN(CC(C)O)CC2.
What is the InChIKey of 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The InChIKey is RZYAFFWVUNXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(18)10-16-8-5-14(6-9-16)4-3-7-17(14)11-13(19)15-2/h12,18H,3-11H2,1-2H3,(H,15,19).
What are the key properties of 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-hydroxypropyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is sourced from PubChem (CID 134079017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).